AG001ORU

156496-89-8 | 1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-3-oxo-, 1,1-dimethylethyl ester

AG001ORU

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CAS Number	156496-89-8
Catalog Number	AG001ORU(AGN-PC-0Q73R4)
Chemical Name	1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-3-oxo-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 3-oxo-2,6-dihydropyridine-1-carboxylate
InChI	InChI=1S/C10H15NO3/c1-10(2,3)14-9(13)11-6-4-5-8(12)7-11/h4-5H,6-7H2,1-3H3
InChI Key	LAOFVVUJCGMSJG-UHFFFAOYSA-N
MDL Number	MFCD22394907
Molecular Formula	C10H15NO3
Molecular Weight	197.2310
SMILES	O=C(N(CC=C1)CC1=O)OC(C)(C)C
Synonyms	156496-89-8, tert-Butyl 5-oxo-5,6-dihydropyridine-1(2H)-carboxylate, tert-butyl 3-oxo-1,2,3,6-tetrahydropyridine-1-carboxylate, tert-Butyl 3-oxo-3,6-dihydropyridine-1(2H)-carboxylate, SCHEMBL993758, DTXSID50453426, LAOFVVUJCGMSJG-UHFFFAOYSA-N, MFCD22394907, ZINC34619025, 1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-3-oxo-, 1,1-diMethylethyl ester, SB12037, KS-000004L9, AJ-89807, AS-51636, 1-Boc-3-Oxo-1,2,3,6-tetrahydropyridine, AX8258686, CS-0006476, 3-oxo-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester, 1(2H)-Pyridinecarboxylic acid,3,6-dihydro-3-oxo-,1,1-dimethylethyl ester, CID11052578, Tert-butyl 3-oxo-2,6-dihydropyridine-1-carboxylate,

Complexity	276
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	197.105g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	197.234g/mol
Monoisotopic Mass	197.105g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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